SCHEMBL3050358

SCHEMBL3050358

COc1cccc(CN2CCc3cc(OCc4ccccc4)ccc3C2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
SIGMAR1 Q99720 4/20 0.67
TMEM97 Q5BJF2 3/20 0.67
HTR1A P08908 2/20 0.67
DRD4 P21917 2/20 0.67
HTR2C P28335 2/20 0.67
HTR2B P41595 2/20 0.67
SLC6A3 Q01959 2/20 0.67
CHRM2 P08172 1/20 0.67
CHRM3 P20309 1/20 0.67
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67
DRD3 P35462 1/20 0.67
REV1 Q9UBZ9 1/20 0.66
HRH3 Q9Y5N1 4/20 0.59
CARM1 Q86X55 1/20 0.58
CYP2D6 P10635 1/20 0.56
HRH1 P35367 1/20 0.56
MAOB P27338 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3045956 0.88 REV1 (0.70) L3MBTL1SIGMAR1TMEM97HTR1ADRD4
SCHEMBL3059849 0.86 REV1 (0.74) L3MBTL1SIGMAR1TMEM97HTR1ADRD4
SCHEMBL3059218 0.84 SIGMAR1 (0.66) L3MBTL1SIGMAR1TMEM97HTR1ADRD4
SCHEMBL6971135 0.81 SIGMAR1 (0.66) L3MBTL1SIGMAR1TMEM97HTR1ADRD4
SCHEMBL3055433 0.81 REV1 (0.70) L3MBTL1SIGMAR1TMEM97HTR1ADRD4
SCHEMBL19521553 0.81 SIGMAR1 (1.00) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL10673708 0.80 TMEM97 (0.78) SIGMAR1TMEM97HTR1ADRD4HTR2C
SCHEMBL3055739 0.80 REV1 (0.72) L3MBTL1SIGMAR1TMEM97HTR1ADRD4
SCHEMBL3668878 0.80 REV1 (0.66) L3MBTL1SIGMAR1TMEM97HTR1ADRD4
SCHEMBL5131895 0.80 SIGMAR1 (0.58) SIGMAR1TMEM97HTR1ADRD4HTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
CN-101677993-A Compound (I) STERIX LTD 2010-03-24 CN disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222299-A1 COMPOUND MKI67, VHL, MYC L3MBTL1 2523/4885SIGMAR1 4163/4885TMEM97 3497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.